School of Biotechnology, Jiangsu University of Science and Technology, Zhenjiang, China; Department of Physical Chemistry, University of Duisburg-Essen, Essen, Germany.
Department of Physical Chemistry, University of Duisburg-Essen, Essen, Germany.
J Pharm Biomed Anal. 2018 Oct 25;160:179-186. doi: 10.1016/j.jpba.2018.07.048. Epub 2018 Jul 30.
Notwithstanding the first developments of miniaturized vibrational spectrometers more than a decade ago, only recently real handheld near-infrared (NIR) spectrometers (<200 g) became commercially available at significantly reduced costs compared to other portable systems. While on the one hand this development was driven by the consumer request for every-day-life applications by non-experts, on the manufacturer side it was supported by the availability and potential of new technologies such as micro-electromechanical systems (MEMS). In the present communication calibration spectra of a solid pharmaceutical formulation consisting of two excipients and three active ingredients, acetylsalicylic acid (ASA), ascorbic acid (ASC) and caffeine (CAF), have been measured with four handheld NIR spectrometers based on different monochromator principles and have subsequently been used to develop partial least squares (PLS) models for the quantitative determination of the active ingredients. Taking into account the instrumental and spectral peculiarities of the four instruments and the three analytes, respectively, the detailed analysis of the calibration parameters and the prediction accuracy for a test sample set then allowed to compare the performance of the different spectrometers for the analytical problem under investigation.
尽管十多年前就已经开发出了小型化的振动光谱仪，但直到最近，真正的手持式近红外（NIR）光谱仪（<200g）才以明显降低的成本在市场上推出，与其他便携式系统相比具有成本优势。一方面，这种发展是由于消费者对非专业人士的日常生活应用的需求所驱动的，而在制造商方面，新技术如微机电系统（MEMS）的可用性和潜力也起到了支持作用。在本通讯中，使用基于不同单色仪原理的四台手持式 NIR 光谱仪测量了由两种赋形剂和三种活性成分（乙酰水杨酸（ASA）、抗坏血酸（ASC）和咖啡因（CAF））组成的固体药物制剂的校准光谱，并随后用于开发偏最小二乘法（PLS）模型以定量测定活性成分。考虑到四台仪器的仪器和光谱特点以及三种分析物的特点，对校准参数和测试样本集的预测准确性进行了详细分析，从而可以比较不同光谱仪在研究分析问题中的性能。
